N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C18H15N3O4S — CID 118986402

IUPACN-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15N3O4S/c1-11-16(26-18(19-11)12-6-4-3-5-7-12)17(22)20-14-9-8-13(25-2)10-15(14)21(23)24/h3-10H,1-2H3,(H,20,22)
InChIKeyDRDWHRNHYTYDEV-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.29
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 118986402) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID118986402
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C18H15N3O4S/c1-11-16(26-18(19-11)12-6-4-3-5-7-12)17(22)20-14-9-8-13(25-2)10-15(14)21(23)24/h3-10H,1-2H3,(H,20,22)
InChIKeyDRDWHRNHYTYDEV-UHFFFAOYSA-N
XLogP4.29
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142
N-(4-chloro-2-nitrophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108801075
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660116
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
N-(2-bromo-4-methylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27667984
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724507
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337589

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 118986402) is N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(NC(=O)c2sc(-c3ccccc3)nc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is DRDWHRNHYTYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-11-16(26-18(19-11)12-6-4-3-5-7-12)17(22)20-14-9-8-13(25-2)10-15(14)21(23)24/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118986402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).